(4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one

C10H16O3 — CID 11389786

IUPAC(4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one
SMILESCCCCC/C=C/[C@@H]1COC(=O)O1
InChIInChI=1S/C10H16O3/c1-2-3-4-5-6-7-9-8-12-10(11)13-9/h6-7,9H,2-5,8H2,1H3/b7-6+/t9-/m1/s1
InChIKeyGJJAVMIMPIRMNH-XCODYQFDSA-N
MW184.23 g/mol
LogP2.66
Rot. Bonds5

About (4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one

(4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one (PubChem CID 11389786) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one
PubChem CID11389786
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one
SMILESCCCCC/C=C/[C@@H]1COC(=O)O1
InChIInChI=1S/C10H16O3/c1-2-3-4-5-6-7-9-8-12-10(11)13-9/h6-7,9H,2-5,8H2,1H3/b7-6+/t9-/m1/s1
InChIKeyGJJAVMIMPIRMNH-XCODYQFDSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-deca-1,9-dienyl-1,3-dioxolan-2-one
CID 146800638
4-but-1-enyl-1,3-dioxolan-2-one
CID 54143816
5-amino-4-[(E)-pentadec-1-enyl]-1,3-dioxan-2-one
CID 18996041
3-oct-1-enyloxiran-2-one
CID 90850629
2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione
CID 141004308
4-hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl-1,3-dioxolan-2-one;4-hexacosyl-1,3-dioxolan-2-one
CID 162277518
3,4-bis(henicos-1-enyl)oxolane-2,5-dione
CID 139774485
(3R,4S,5S)-4-[(E)-hept-1-enyl]-3-methyl-5-pentyloxolan-2-one
CID 11196401
(3S,4S,5S)-4-[(E)-hept-1-enyl]-3-methyl-5-pentyloxolan-2-one
CID 11437064
(4S)-4-octyl-1,3-dioxolan-2-one
CID 129382353
4-hept-1-enyloxetan-2-ol
CID 140814520
4-octadecyl-1,3-dioxolan-2-one
CID 139653097

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one?
The IUPAC name of (4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one (CID 11389786) is (4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one.
What is the SMILES notation for (4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one?
The canonical SMILES for (4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one is CCCCC/C=C/[C@@H]1COC(=O)O1.
What is the InChIKey of (4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one?
The InChIKey is GJJAVMIMPIRMNH-XCODYQFDSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-5-6-7-9-8-12-10(11)13-9/h6-7,9H,2-5,8H2,1H3/b7-6+/t9-/m1/s1.
What are the key properties of (4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one?
(4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one has a molecular weight of 184.23 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 11389786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).